MMs01472899 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7416 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 2.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 3.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5334 5.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 5.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 3.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 3.9115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 5.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 6.5817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 7.5926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7597 6.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4572 5.3817 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 7.4698 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3452 6.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7116 7.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8588 8.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9307 6.3410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2971 6.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5163 6.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8826 6.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0298 8.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8107 9.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 8.4527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3962 8.8167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 0.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 -0.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 1.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 3.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 6.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5599 6.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 2.8762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4874 5.7569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0226 5.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8130 5.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3985 4.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8580 6.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9284 10.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 M END